SCHEMBL19903496

SCHEMBL19903496

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 3/20 0.35
RAPGEF4 Q8WZA2 3/20 0.35
CTSS P25774 3/20 0.34
CTSK P43235 3/20 0.34
KIF11 P52732 1/20 0.33
PPARG P37231 1/20 0.32
ICMT O60725 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32
CSNK1D P48730 1/20 0.31
CSNK1G2 P78368 1/20 0.31
AR P10275 5/20 0.30
PGR P06401 4/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
XDH P47989 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19918034 0.96 KIF11 (0.36) RAPGEF3RAPGEF4CTSSCTSKKIF11
SCHEMBL19918040 0.96 KIF11 (0.34) RAPGEF3RAPGEF4CTSSCTSKKIF11
SCHEMBL22822506 0.94 RXRA (0.36) RAPGEF3RAPGEF4CTSSCTSKKIF11
SCHEMBL19917963 0.94 CTSS (0.33) CTSSCTSKKIF11TSHRSMN1; SMN2
SCHEMBL19912384 0.93 TSHR (0.32) RAPGEF3RAPGEF4KIF11TSHRSMN1; SMN2
SCHEMBL21440722 0.92 KIF11 (0.36) RAPGEF3RAPGEF4CTSSCTSKKIF11
SCHEMBL19903491 0.92 RAPGEF3 (0.35) RAPGEF3RAPGEF4CTSSCTSKKIF11
SCHEMBL22822626 0.91 KIF11 (0.34) KIF11PPARGARXDH
SCHEMBL19918036 0.90 KIF11 (0.41) RAPGEF3RAPGEF4CTSSCTSKKIF11
SCHEMBL19912410 0.90 KIF11 (0.32) KIF11TSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 US disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 RAPGEF3 3796/4885RAPGEF4 4543/4885CTSS 4248/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RAPGEF3 3777/4885RAPGEF4 4524/4885CTSS 4073/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.